(3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide

C14H22N2O3S — CID 87998513

IUPAC(3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide
SMILESCC(C)SCC[C@@H](N)C(O)C(=O)NOc1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-10(2)20-9-8-12(15)13(17)14(18)16-19-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyHJGNYIZAXVMLLD-PZORYLMUSA-N
MW298.41 g/mol
LogP1.32
Rot. Bonds8

About (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide

(3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide (PubChem CID 87998513) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide.

Molecular Properties

Compound Name(3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide
PubChem CID87998513
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide
SMILESCC(C)SCC[C@@H](N)C(O)C(=O)NOc1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-10(2)20-9-8-12(15)13(17)14(18)16-19-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13?/m1/s1
InChIKeyHJGNYIZAXVMLLD-PZORYLMUSA-N
XLogP1.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-2-hydroxy-4-(2-methylpropylsulfanyl)-N-phenoxybutanamide
CID 87998388
(3R)-3-amino-5-cyclohexyl-2-hydroxy-N-phenoxypentanamide
CID 87998484
(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide;hydrochloride
CID 70064787
benzyl-[(2S)-1-methoxy-1-oxo-4-propan-2-ylsulfanylbutan-2-yl]carbamic acid
CID 67418082
(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 141016956
3-propan-2-ylsulfanylpropoxybenzene
CID 30619859
phenyl 3-amino-2-hydroxybutanoate
CID 174562761
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
methyl 2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 12988911
(2S,3R)-3-amino-N-[(3S)-2,5-dimethylhexan-3-yl]-2-hydroxy-4-phenylbutanamide
CID 155326285
benzyl (3S)-3-amino-2-hydroxyheptanoate
CID 56995658
(2S)-2-(phenoxyamino)propanoic acid
CID 88593893

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide?
The IUPAC name of (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide (CID 87998513) is (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide.
What is the SMILES notation for (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide?
The canonical SMILES for (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide is CC(C)SCC[C@@H](N)C(O)C(=O)NOc1ccccc1.
What is the InChIKey of (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide?
The InChIKey is HJGNYIZAXVMLLD-PZORYLMUSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)20-9-8-12(15)13(17)14(18)16-19-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9,15H2,1-2H3,(H,16,18)/t12-,13?/m1/s1.
What are the key properties of (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide?
(3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide has a molecular weight of 298.41 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2-hydroxy-N-phenoxy-5-propan-2-ylsulfanylpentanamide is sourced from PubChem (CID 87998513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).